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2-Methyl-1,1,3,3-tetrabenzylisoindoline

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Methyl-1,1,3,3-tetrabenzylisoindoline
SpectraBase Compound ID 6TVM9fNByd
InChI InChI=1S/C37H35N/c1-38-36(26-30-16-6-2-7-17-30,27-31-18-8-3-9-19-31)34-24-14-15-25-35(34)37(38,28-32-20-10-4-11-21-32)29-33-22-12-5-13-23-33/h2-25H,26-29H2,1H3
InChIKey NLTIHSQAPHDZLH-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C37H35N
Exact Mass 493.27695 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EdCsgSYsGKv
Name 2-Methyl-1,1,3,3-tetrabenzylisoindoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.276950131 u
Formula C37H35N
InChI InChI=1S/C37H35N/c1-38-36(26-30-16-6-2-7-17-30,27-31-18-8-3-9-19-31)34-24-14-15-25-35(34)37(38,28-32-20-10-4-11-21-32)29-33-22-12-5-13-23-33/h2-25H,26-29H2,1H3
InChIKey NLTIHSQAPHDZLH-UHFFFAOYSA-N
Molecular Weight 493.694 g/mol
SMILES C=12C=CC=CC1C(N(C2(CC=1C=CC=CC1)CC=1C=CC=CC1)C)(CC=1C=CC=CC1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.98991